2-methylpropan-2-aminium 4-(5-chloro-1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl)-4-(4-chloro-2-methylphenyl)butanoate
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Basic information
- Standard SMILES
CC(C)(C)[NH3+].Cc1cc(Cl)ccc1C(CCC(=O)[O-])c1c(-c2ccccn2)nn(C)c1Cl- InChIKey
MFFGDXHWUMDNOF-UHFFFAOYSA-N- Molecular formula
- C24H30Cl2N4O2
- Average molar mass
- 477.4 g/mol
Names & identifiers
- Preferred name
- 2-methylpropan-2-aminium 4-(5-chloro-1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl)-4-(4-chloro-2-methylphenyl)butanoate
- IUPAC
- tert-butylazanium;4-(4-chloro-2-methylphenyl)-4-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)butanoate
Names & synonyms
MFFGDXHWUMDNOF-UHFFFAOYSA-N2-methylpropan-2-aminium 4-(5-chloro-1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl)-4-(4-chloro-2-methylphenyl)butanoate
Database identifiers
- PubChem CID
- 90233643
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 529
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Related reactions
1 records
Compound notes
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